5-Bromo-2-chlorobenzoic acid
5-Bromo-2-Chlorobenzoic Acid
CAS: 21739-92-4
Molecular Formula: C7H4BrClO2
5-Bromo-2-chlorobenzoic acid - Names and Identifiers
| Name | 5-Bromo-2-Chlorobenzoic Acid |
| Synonyms | BCBA 5-bromo-2-chlorobenzoate 2-CHLORO-5-BROMOBENZOIC ACID 5-BROMO-2-CHLOROBENZOIC ACID 2-Chloro-5-bromobenzoic acid 5-Bromo-2-Chlorobenzoic Acid 5-Bromo-2-chloro benzoic acid 5-Bromo-2-chloro-benzoic acid Benzoic acid, 5-bromo-2-chloro- 2-chloropyridine-4-carbonitrile 5-Bromo-2-Chlorobenzoic Acid (BCBA) 5-BROMO-2-CHLOROBENZOIC ACID FOR SYNTHES |
| CAS | 21739-92-4 |
| EINECS | 244-558-5 |
| InChI | InChI=1/C7H4BrClO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)/p-1 |
5-Bromo-2-chlorobenzoic acid - Physico-chemical Properties
| Molecular Formula | C7H4BrClO2 |
| Molar Mass | 235.46 |
| Density | 1.7312 (rough estimate) |
| Melting Point | 154-156 °C (lit.) |
| Boling Point | 324.5±27.0 °C(Predicted) |
| Flash Point | 150.1°C |
| Water Solubility | Soluble in water 2.63 g/L @20°C. |
| Solubility | 2.63g/l |
| Vapor Presure | 0.0001mmHg at 25°C |
| Appearance | White crystal |
| Color | Off white colored powder |
| BRN | 2691432 |
| pKa | 2.49±0.25(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5590 (estimate) |
| MDL | MFCD00002415 |
| Physical and Chemical Properties | White crystalline powder. Melting point 158-160°C. |
5-Bromo-2-chlorobenzoic acid - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 3 |
| HS Code | 29163900 |
| Hazard Class | IRRITANT |
5-Bromo-2-chlorobenzoic acid - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | 5-bromo-2-chlorobenzoic acid is used as a synthetic raw material for dapagliflozin, a selective sodium-glucose cotransporter 2 inhibitor, which can reduce the reabsorption of glucose by the kidneys and is used to treat patients with type 2 diabetes. |
Last Update：2024-04-09 02:00:07
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